4-cyclopropyl-4-fluorocyclohexane-1-carboxylic acid

C10H15FO2 — CID 115017061

IUPAC4-cyclopropyl-4-fluorocyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(F)(C2CC2)CC1
InChIInChI=1S/C10H15FO2/c11-10(8-1-2-8)5-3-7(4-6-10)9(12)13/h7-8H,1-6H2,(H,12,13)
InChIKeyJQCATSOCJJRGEU-UHFFFAOYSA-N
MW186.23 g/mol
LogP2.38
Rot. Bonds2

About 4-cyclopropyl-4-fluorocyclohexane-1-carboxylic acid

4-cyclopropyl-4-fluorocyclohexane-1-carboxylic acid (PubChem CID 115017061) has the molecular formula C10H15FO2 and a molecular weight of 186.23 g/mol. Its IUPAC name is 4-cyclopropyl-4-fluorocyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-4-fluorocyclohexane-1-carboxylic acid
PubChem CID115017061
Molecular FormulaC10H15FO2
Molecular Weight186.23 g/mol
Exact Mass186.11
IUPAC Name4-cyclopropyl-4-fluorocyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(F)(C2CC2)CC1
InChIInChI=1S/C10H15FO2/c11-10(8-1-2-8)5-3-7(4-6-10)9(12)13/h7-8H,1-6H2,(H,12,13)
InChIKeyJQCATSOCJJRGEU-UHFFFAOYSA-N
XLogP2.38
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-fluorobicyclo[2.2.0]hexane
CID 91806231
4-amino-4-hydroxycyclohexane-1-carboxylic acid
CID 123288864
1-chlorocyclohexane-1,4-dicarboxylic acid
CID 21417345
cyclopropanecarboxylic acid;hydroiodide
CID 67700319
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
4-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid;hydrochloride
CID 86775367
4-acetyl-4-hydroxycyclohexane-1-carboxylic acid
CID 118221277
4,4-bis(ethenyl)cyclohexane-1-carboxylic acid
CID 139611039
4-[(1-cyclopropylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114096792
cyclopentanecarboxylic acid
CID 18840
3,3-dihydroxycyclopentane-1-carboxylic acid
CID 67929383
4,4-difluorocyclohexane-1-carboxylic acid;3,4-difluorocyclohexan-1-one
CID 175447818

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-4-fluorocyclohexane-1-carboxylic acid?
The IUPAC name of 4-cyclopropyl-4-fluorocyclohexane-1-carboxylic acid (CID 115017061) is 4-cyclopropyl-4-fluorocyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-4-fluorocyclohexane-1-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-4-fluorocyclohexane-1-carboxylic acid is O=C(O)C1CCC(F)(C2CC2)CC1.
What is the InChIKey of 4-cyclopropyl-4-fluorocyclohexane-1-carboxylic acid?
The InChIKey is JQCATSOCJJRGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO2/c11-10(8-1-2-8)5-3-7(4-6-10)9(12)13/h7-8H,1-6H2,(H,12,13).
What are the key properties of 4-cyclopropyl-4-fluorocyclohexane-1-carboxylic acid?
4-cyclopropyl-4-fluorocyclohexane-1-carboxylic acid has a molecular weight of 186.23 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-4-fluorocyclohexane-1-carboxylic acid is sourced from PubChem (CID 115017061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).